N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide

C15H20N2O2 — CID 115173478

IUPACN-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide
SMILESCOc1ccc(NC(=O)CCC#N)cc1C(C)(C)C
InChIInChI=1S/C15H20N2O2/c1-15(2,3)12-10-11(7-8-13(12)19-4)17-14(18)6-5-9-16/h7-8,10H,5-6H2,1-4H3,(H,17,18)
InChIKeyOIKMJFAEROHXQO-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.23
Rot. Bonds4

About N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide

N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide (PubChem CID 115173478) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide
PubChem CID115173478
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide
SMILESCOc1ccc(NC(=O)CCC#N)cc1C(C)(C)C
InChIInChI=1S/C15H20N2O2/c1-15(2,3)12-10-11(7-8-13(12)19-4)17-14(18)6-5-9-16/h7-8,10H,5-6H2,1-4H3,(H,17,18)
InChIKeyOIKMJFAEROHXQO-UHFFFAOYSA-N
XLogP3.23
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide
CID 115173483
N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide
CID 115173479
3-(3-tert-butyl-4-methoxyphenyl)propanenitrile
CID 82471944
methyl 2-(3-tert-butyl-4-methoxyanilino)acetate
CID 115232645
methyl 4-(3-cyanopropanoylamino)benzoate
CID 94261035
3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide
CID 21469465
5-cyano-N-(3,5-ditert-butyl-4-hydroxyphenyl)pentanamide
CID 15170949
3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040577
5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide
CID 43470712
N-[(3-tert-butyl-4-methoxyphenyl)methylideneamino]-2-cyanoacetamide
CID 4661411
2-cyano-N-(3-ethyl-4-methoxyphenyl)acetamide
CID 115172874
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide?
The IUPAC name of N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide (CID 115173478) is N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide.
What is the SMILES notation for N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide?
The canonical SMILES for N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide is COc1ccc(NC(=O)CCC#N)cc1C(C)(C)C.
What is the InChIKey of N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide?
The InChIKey is OIKMJFAEROHXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)12-10-11(7-8-13(12)19-4)17-14(18)6-5-9-16/h7-8,10H,5-6H2,1-4H3,(H,17,18).
What are the key properties of N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide?
N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide has a molecular weight of 260.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide is sourced from PubChem (CID 115173478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).